[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C21H18N2O4 — CID 2358185

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c24-18(14-27-21(26)17-12-7-13-22-20(17)25)23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,19H,14H2,(H,22,25)(H,23,24)
InChIKeyZXWVXMPRIRKJSJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.44
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2358185) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2358185
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c24-18(14-27-21(26)17-12-7-13-22-20(17)25)23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,19H,14H2,(H,22,25)(H,23,24)
InChIKeyZXWVXMPRIRKJSJ-UHFFFAOYSA-N
XLogP2.44
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2358185) is [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZXWVXMPRIRKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-18(14-27-21(26)17-12-7-13-22-20(17)25)23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,19H,14H2,(H,22,25)(H,23,24).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2358185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).